AA64087
1460-38-4 | 2-(2-Oxocyclopentyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA64087
ChemicalName
2-(2-Oxocyclopentyl)acetic acid
CasNumber
1460-38-4
MolecularFormula
C7H10O3
MolecularWeight
142.1525
MdlNumber
MFCD02093672
Smiles
OC(=O)CC1CCCC1=O
Complexity
162
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-0.1
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CatalogNumber: AA64087
ChemicalName: 2-(2-Oxocyclopentyl)acetic acid
CasNumber: 1460-38-4
MolecularFormula: C7H10O3
MolecularWeight: 142.1525
MdlNumber: MFCD02093672
Smiles: OC(=O)CC1CCCC1=O
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.1
CatalogNumber:
AA64087
ChemicalName:
2-(2-Oxocyclopentyl)acetic acid
CasNumber:
1460-38-4
MolecularFormula:
C7H10O3
MolecularWeight:
142.1525
MdlNumber:
MFCD02093672
Smiles:
OC(=O)CC1CCCC1=O
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCCCCCCCCCCCCC(=O)O
Complexity: 214
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCCCCCCCCCCCCC(=O)O
Complexity:
214
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.8
CatalogNumber: AA64089
ChemicalName: Cycloheptanecarboxylic acid
CasNumber: 1460-16-8
MolecularFormula: C8H14O2
MolecularWeight: 142.1956
MdlNumber: MFCD00004152
Smiles: OC(=O)C1CCCCCC1
Complexity: 112
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
AA64089
ChemicalName:
Cycloheptanecarboxylic acid
CasNumber:
1460-16-8
MolecularFormula:
C8H14O2
MolecularWeight:
142.1956
MdlNumber:
MFCD00004152
Smiles:
OC(=O)C1CCCCCC1
Complexity:
112
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [N-]=[N+]=C1C(=O)CCCC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[N-]=[N+]=C1C(=O)CCCC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__